Re: [AMBER] Energy minimization in Implicit solvent for Langevin dynamics simulation

From: David A Case <>
Date: Mon, 9 Sep 2019 08:58:23 -0400

On Mon, Sep 09, 2019, Vishal Singh wrote:

>How can I minimization the energy of the system for Implicit solvent?

Set imin=1 in your mdin file. The minimizer doesn't care if the system
is implicit or explicit solvent.

>Is restrain of the solute atom is needed in minimization for Implicit



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Received on Mon Sep 09 2019 - 06:00:07 PDT
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